Molecule FYI-1015782

A

Molecule Summary:

ID: FYI-1015782
Names:
InChIKey: QWEWNNCCYUPFJJ-MNOVXSKESA-N
SMILES: COC4(C)CN(c1nc(N)nc2c1ncn2[C@H]3C=C[C@@H](CO)C3)C4

Received at FYIcenter.com on: 2025-10-10

Molecule ID: FYI-1015782 Edit

Molecule Structure InChIKey: QWEWNNCCYUPFJJ-MNOVXSKESA-N

Molecule Structure SMILES String: COC4(C)CN(c1nc(N)nc2c1ncn2[C@H]3C=C[C@@H](CO)C3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015782
FYIcenter.com

 24 27  0  0  1  0  0  0  0  0999 V2000
   13.5368    4.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4262    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0739    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7116    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0639    3.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4991    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4991    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0743    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0743    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9956    5.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6033    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0339    4.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    4.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6240    5.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7026    3.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0950    2.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327    4.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6386    5.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8511    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  1  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
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 19 18  2  0  0  0  0
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 17 20  1  1  0  0  0
 21 20  1  0  0  0  0
 22  8  1  0  0  0  0
 23  2  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015782-3D
FYIcenter.com

 46 49  0     1  0  0  0  0  0999 V2000
   -4.9837    0.0788   -1.4132 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7766    1.1286   -0.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9110    0.3808    0.7668 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314   -1.3583    0.2514 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099    1.8344    0.1597 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7965   -1.8044    0.7436 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757    1.0336   -0.1423 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6268    3.2892   -0.4356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958    0.1002    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9725    1.2887    0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6527   -0.7985    0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8043   -1.5928    0.0056 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1328   -0.1207    0.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5543    0.5918    0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7162   -0.7636    0.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9499   -0.3974    0.0888 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.6669   -0.1679    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2784   -1.1932   -1.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4434   -0.5397   -1.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4628    1.0020    0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103   -2.3106    0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2909   -1.1907   -1.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2081    1.9759   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  2 21  1  0  0  0  0
  2 44  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  4 22  1  0  0  0  0
  5 14  2  0  0  0  0
  5 24  1  0  0  0  0
  6 17  1  0  0  0  0
  6 22  2  0  0  0  0
  7 18  1  0  0  0  0
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  8 24  1  0  0  0  0
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  8 46  1  0  0  0  0
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 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
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 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
$$$$

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2025-10-14, 671👍, 0💬